SpectraBase Compound ID | A9CwowyOwiA |
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InChI | InChI=1S/C28H21N5O14S4.3Na/c1-14(34)29-23-10-11-24(50(42,43)44)20-13-25(51(45,46)47)27(28(35)26(20)23)33-32-22-9-8-21(18-7-6-17(12-19(18)22)49(39,40)41)31-30-15-2-4-16(5-3-15)48(36,37)38;;;/h2-13,35H,1H3,(H,29,34)(H,36,37,38)(H,39,40,41)(H,42,43,44)(H,45,46,47);;;/q;3*+1/p-3/b31-30+,33-32+;;; |
InChIKey | OBQAYZWVQLVOGV-GSFLQGBQSA-K |
Mol Weight | 845.68230785 g/mol |
Molecular Formula | C28H18N5Na3O14S4 |
Exact Mass | 844.942618 g/mol |
SpectraBase Spectrum ID | ABZu9cgMmyU |
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Name | C.I. FOOD BLACK 1, TRISODIUM SALT |
Source of Sample | Tokyo Kasei Kogyo Company, Ltd., Tokyo, Japan |
Copyright | Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula | C28H18N5Na3O14S4 |
InChI | InChI=1S/C28H21N5O14S4.3Na/c1-14(34)29-23-10-11-24(50(42,43)44)20-13-25(51(45,46)47)27(28(35)26(20)23)33-32-22-9-8-21(18-7-6-17(12-19(18)22)49(39,40)41)31-30-15-2-4-16(5-3-15)48(36,37)38;;;/h2-13,35H,1H3,(H,29,34)(H,36,37,38)(H,39,40,41)(H,42,43,44)(H,45,46,47);;;/q;3*+1/p-3/b31-30+,33-32+;;; |
InChIKey | OBQAYZWVQLVOGV-GSFLQGBQSA-K |
Molecular Weight | 845.685330 |
Technique | KBr WAFER |